1-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid Openeye Name: 1-[(1S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid Traditional Name: 1-[(1S)-2-(homoveratrylamino)-2-keto-1-methyl-ethyl]pyrazole-3-carboxylic acid Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)N2C=CC(=N2)C(=O)O

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC(=C(C=C1)OC)OC)N2C=CC(=N2)C(=O)O

InChI

InChI=1S/C17H21N3O5/c1-11(20-9-7-13(19-20)17(22)23)16(21)18-8-6-12-4-5-14(24-2)15(10-12)25-3/h4-5,7,9-11H,6,8H2,1-3H3,(H,18,21)(H,22,23)/t11-/m0/s1